Calculated parameters of the third-order Birch–Murnaghan equation of state (energy per formula unit E0, volume per formula unit V0, bulk modulus K0 and its pressure derivative 
at zero pressure) of different CrO2 phases. FM and NM represent ferromagnetic and non-magnetic, respectively. The previous experimental and theoretical data are extracted for comparison.
| Phase | E 0/f.u. (eV) | V 0/f.u. (Å3) | K 0 (GPa) |
|
Method and reference |
|---|---|---|---|---|---|
| FM-rutile | −25.231 | 29.13 | 228 | 4.7 | This study |
| Rutile | — | 28.50 | 235 | 5.0 | Exp.24 |
| Rutile | — | 28.09 | 283 | 4.6 | LDA27 |
| FM-CaCl2 | −25.225 | 29.15 | 205 | 3.7 | This study |
| CaCl2 | — | 29.05 | 162 | 4.0 | Exp.24 |
| CaCl2 | — | 28.32 | 179 | 4.3 | LDA27 |
| FM-PbO2 | −25.138 | 28.69 | 219 | 4.2 | This study |
| NM-PbO2 | −24.785 | 27.57 | 213 | 4.7 | This study |
| FM-pyrite | −24.727 | 26.85 | 249 | 4.4 | This study |
| Pyrite | — | 26.12 | 272 | 4.6 | LDA27 |
| NM-pyrite | −24.021 | 26.12 | 272 | 4.3 | This study |
| FM-CaF2 | −24.401 | 26.35 | 254 | 4.4 | This study |
| CaF2 | — | 25.26 | 289 | 4.5 | LDA27 |
| NM-CaF2 | −23.523 | 25.60 | 276 | 4.3 | This study |
| NM-Pnma | −23.434 | 24.95 | 254 | 4.0 | This study |
| NM-Fe2P | −22.844 | 23.98 | 286 | 4.1 | This study |
| NM-CuAl2 | −22.533 | 24.79 | 262 | 4.3 | This study |
| NM-R3̄m | −22.861 | 24.88 | 254 | 4.2 | This study |
| NM-I4/mmm | −21.742 | 23.13 | 310 | 4.1 | This study |
| NM-AlB2 | −18.704 | 24.97 | 241 | 4.1 | This study |
| NM-Ni2In | −21.203 | 24.28 | 240 | 4.3 | This study |